Debasis Sengupta

Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr₂O₃ Catalyst

Yun Kyung Shin, Alex V. Vasenkov, Debasis Sengupta et al. · ACS Catalysis · 2015 · 203 citations

Natural Sciences, Chemistry, Materials Science +17

Theoretical Study of the Thermal Decomposition of Acetic Acid: Decarboxylation Versus Dehydration

Minh Tho Nguyen, Debasis Sengupta, Greet Raspoet et al. · The Journal of Physical Chemistry · 1995 · 104 citations

Natural Sciences, Chemistry, Chemical Kinetics +7

Combined ab initio quantum chemistry and computational fluid dynamics calculations for prediction of gallium nitride growth

Debasis Sengupta, Sandip Mazumder, William Kuykendall et al. · Journal of Crystal Growth · 2005 · 81 citations

Natural Sciences, Materials Science, Physics +16

Theoretical Study of the H₂ + NO and Related Reactions of [H₂NO] Isomers

R. Sumathi, Debasis Sengupta, Minh Tho Nguyen · The Journal of Physical Chemistry A · 1998 · 72 citations

Natural Sciences, Chemistry, Physics +17

Does the Ring Compound [(CH₃)₂GaNH₂]₃ Form during MOVPE of Gallium Nitride? Investigations via Density Functional and Reaction Rate Theories

Debasis Sengupta · The Journal of Physical Chemistry B · 2002 · 52 citations

Natural Sciences, Chemistry, Materials Science +17